Ethyl 2-(3-cyanophenyl)acetate

Base Information

Chemical Name:Ethyl 2-(3-cyanophenyl)acetate
CAS No.:210113-91-0
Molecular Formula:C11H11NO2
Molecular Weight:189.214
Hs Code.:2926909090
DSSTox Substance ID:DTXSID20458307
Wikidata:Q82281516
Mol file:210113-91-0.mol

Synonyms:Ethyl 2-(3-cyanophenyl)acetate;210113-91-0;Ethyl 3-cyanophenylacetate;Ethyl2-(3-cyanophenyl)acetate;SCHEMBL5725267;DTXSID20458307;TVYAQKQOSLTGQB-UHFFFAOYSA-N;AB3734;MFCD09953132;AKOS011682897;(3-cyano-phenyl)-acetic acid ethyl ester;EN300-100009;Z982130138

Suppliers and Price of Ethyl 2-(3-cyanophenyl)acetate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Ethyl2-(3-Cyanophenyl)acetate
250mg
$ 310.00

Crysdot
Ethyl2-(3-cyanophenyl)acetate 95+%
5g
$ 628.00

American Custom Chemicals Corporation
ETHYL-2-(3-CYANOPHENYL)ACETATE 95.00%
5MG
$ 498.85

Alichem
Ethyl3-cyanophenylacetate
500mg
$ 855.75

Alichem
Ethyl3-cyanophenylacetate
1g
$ 1579.40

Alichem
Ethyl3-cyanophenylacetate
250mg
$ 470.40

AK Scientific
Ethyl2-(3-cyanophenyl)acetate
250mg
$ 323.00

AK Scientific
Ethyl2-(3-cyanophenyl)acetate
100mg
$ 264.00

Activate Scientific
Methyl2-(3-cyanophenyl)acetate 95%
5 g
$ 1187.00

Total 7 raw suppliers

Chemical Property of Ethyl 2-(3-cyanophenyl)acetate

Chemical Property:

Melting Point:50 °C
Boiling Point:295.3±15.0 °C(Predicted)
PSA：50.09000
Density:1.11±0.1 g/cm3(Predicted)
LogP:1.66388
Storage Temp.:2-8°C
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:189.078978594
Heavy Atom Count:14
Complexity:241

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Ethyl2-(3-Cyanophenyl)acetate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC1=CC(=CC=C1)C#N

Technology Process of Ethyl 2-(3-cyanophenyl)acetate

There total 10 articles about Ethyl 2-(3-cyanophenyl)acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

: 766-84-7
3-chloro-benzonitrile

: 5764-82-9
bromo(2-ethoxy-2-oxoethyl)zinc

: 210113-91-0
ethyl 2-(3-cyanophenyl)acetate

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N,N,N,N,-tetramethylethylenediamine; C₃₈H₆₂P₂; In tetrahydrofuran; at 20 ℃; for 16h; Inert atmosphere;
DOI:10.1002/anie.202016048

Reference yield: 88.3%

: 557-21-1
zinc(II) cyanide

: 14062-30-7
ethyl 2-(3-bromophenyl)acetate

: 210113-91-0
ethyl 2-(3-cyanophenyl)acetate

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 90 ℃; for 18h; Inert atmosphere;

Reference yield: 77.0%

: 6952-59-6
3-cyanobromobenzene

: 105-53-3
diethyl malonate

: 210113-91-0
ethyl 2-(3-cyanophenyl)acetate

Guidance literature:: With potassium carbonate; potassium hydrogencarbonate; bis(dibenzylideneacetone)-palladium⁽⁰⁾; tri tert-butylphosphoniumtetrafluoroborate; at 160 ℃; for 8h; Inert atmosphere;
DOI:10.1002/adsc.201100102